5-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]furan-2-sulfonate

Formula:C22H16N3O8S Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]furan-2-sulfonate is not a drug-like molecule.

MolName	5-[(Z)-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]furan-2-sulfonate
MolecularFormula	C22H16N3O8S
Smiles	[O-]S(c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c(cc2)cc3c2OCO3)=O)o1)(=O)=O
InChI	InChI=1S/C22H17N3O8S/c26-21(15-4-2-1-3-5-15)24-17(10-14-6-8-18-19(11-14)32-13-31-18)22(27)25-23-12-16-7-9-20(33-16)34(28,29)30/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29,30)/p-1
InChIK	SRQGZPBFZIOQEJ-UHFFFAOYSA-M
TotalMolweight	482.448
Molweight	482.448
MonoisotopicMass	482.065812
CLogP	0.7389
CLogS	-4.228
H Acceptors	11
H Donors	2
TotalSurfaceArea	346.73
Relative PSA	0.3965
PolarSurfaceArea	167.74
Druglikeness	1.7533
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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